N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride

C27H31ClN4O — CID 118483782

IUPACN-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc(C4CC4(N)c4ccccc4)cc3)cc2)CC1.Cl
InChIInChI=1S/C27H30N4O.ClH/c1-30-15-17-31(18-16-30)24-13-9-21(10-14-24)26(32)29-23-11-7-20(8-12-23)25-19-27(25,28)22-5-3-2-4-6-22;/h2-14,25H,15-19,28H2,1H3,(H,29,32);1H
InChIKeyZSOPOJCOLJODBA-UHFFFAOYSA-N
MW463.03 g/mol
LogP4.45
Rot. Bonds5

About N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride

N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride (PubChem CID 118483782) has the molecular formula C27H31ClN4O and a molecular weight of 463.03 g/mol. Its IUPAC name is N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride
PubChem CID118483782
Molecular FormulaC27H31ClN4O
Molecular Weight463.03 g/mol
Exact Mass462.22
IUPAC NameN-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride
SMILESCN1CCN(c2ccc(C(=O)Nc3ccc(C4CC4(N)c4ccccc4)cc3)cc2)CC1.Cl
InChIInChI=1S/C27H30N4O.ClH/c1-30-15-17-31(18-16-30)24-13-9-21(10-14-24)26(32)29-23-11-7-20(8-12-23)25-19-27(25,28)22-5-3-2-4-6-22;/h2-14,25H,15-19,28H2,1H3,(H,29,32);1H
InChIKeyZSOPOJCOLJODBA-UHFFFAOYSA-N
XLogP4.45
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S,2R)-2-amino-2-phenylcyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 90213032
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-4-(4-methylpiperazin-1-yl)benzamide;trihydrochloride
CID 129012193
4-(4-methylpiperazin-1-yl)-N-[4-[(3R)-5-phenylpiperidin-3-yl]phenyl]benzamide
CID 144638395
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
3,4-dihydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 113199321
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride (CID 118483782) is N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride is CN1CCN(c2ccc(C(=O)Nc3ccc(C4CC4(N)c4ccccc4)cc3)cc2)CC1.Cl.
What is the InChIKey of N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
The InChIKey is ZSOPOJCOLJODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O.ClH/c1-30-15-17-31(18-16-30)24-13-9-21(10-14-24)26(32)29-23-11-7-20(8-12-23)25-19-27(25,28)22-5-3-2-4-6-22;/h2-14,25H,15-19,28H2,1H3,(H,29,32);1H.
What are the key properties of N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride?
N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride has a molecular weight of 463.03 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-phenylcyclopropyl)phenyl]-4-(4-methylpiperazin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 118483782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).